N-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-(2-methoxyethylamino)-5-nitro-benzamide

Systemtic Name: N-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-(2-methoxyethylamino)-5-nitro-benzamide Openeye Name: N-(4-chloro-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-(2-methoxyethylamino)-5-nitro-benzamide CAS Name: N-[4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]-2-(2-methoxyethylamino)-5-nitrobenzamide IUPAC Name: N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-(2-methoxyethylamino)-5-nitrobenzamide Traditional Name: N-(4-chloro-3-pyrrolidinosulfonyl-phenyl)-2-(2-methoxyethylamino)-5-nitro-benzamide Formula: C20H23ClN4O6S MolecularWeight: 482.93782

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3

Isomeric SMILES

COCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H23ClN4O6S/c1-31-11-8-22-18-7-5-15(25(27)28)13-16(18)20(26)23-14-4-6-17(21)19(12-14)32(29,30)24-9-2-3-10-24/h4-7,12-13,22H,2-3,8-11H2,1H3,(H,23,26)